4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide

C24H22N6O4 — CID 90665747

IUPAC4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N4CC(C)(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1
InChIInChI=1S/C24H22N6O4/c1-14-6-16-18(33-14)7-15(22(31)29-20-10-25-4-5-26-20)8-19(16)34-21-11-27-17(9-28-21)23(32)30-12-24(2,3)13-30/h4-11H,12-13H2,1-3H3,(H,26,29,31)
InChIKeyOLOBSABWYJVWAO-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.85
Rot. Bonds5

About 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide

4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide (PubChem CID 90665747) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
PubChem CID90665747
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N4CC(C)(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1
InChIInChI=1S/C24H22N6O4/c1-14-6-16-18(33-14)7-15(22(31)29-20-10-25-4-5-26-20)8-19(16)34-21-11-27-17(9-28-21)23(32)30-12-24(2,3)13-30/h4-11H,12-13H2,1-3H3,(H,26,29,31)
InChIKeyOLOBSABWYJVWAO-UHFFFAOYSA-N
XLogP3.85
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The IUPAC name of 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide (CID 90665747) is 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide is Cc1cc2c(Oc3cnc(C(=O)N4CC(C)(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1.
What is the InChIKey of 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
The InChIKey is OLOBSABWYJVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-14-6-16-18(33-14)7-15(22(31)29-20-10-25-4-5-26-20)8-19(16)34-21-11-27-17(9-28-21)23(32)30-12-24(2,3)13-30/h4-11H,12-13H2,1-3H3,(H,26,29,31).
What are the key properties of 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide?
4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,3-dimethylazetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-pyrazin-2-yl-1-benzofuran-6-carboxamide is sourced from PubChem (CID 90665747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).